(4S,5S,6S,7S,8S)-5-Acetamido-4,6,8-Trihydroxy-7-[[(3R)-3-Hydroxybutanoyl]Amino]-2-Oxononanoic Acid
[CAS# 100343-04-2]

Identification

• Name: (4S,5S,6S,7S,8S)-5-Acetamido-4,6,8-Trihydroxy-7-[[(3R)-3-Hydroxybutanoyl]Amino]-2-Oxononanoic Acid
• Synonyms: (4S,5S,6S,7S,8S)-5-Acetamido-4,6,8-Trihydroxy-7-[[(3R)-3-Hydroxybutanoyl]Amino]-2-Oxo-Nonanoic Acid; (4S,5S,6S,7S,8S)-5-Acetamido-4,6,8-Trihydroxy-7-[[(3R)-3-Hydroxy-1-Oxobutyl]Amino]-2-Oxononanoic Acid; (4S,5S,6S,7S,8S)-5-Acetamido-4,6,8-Trihydroxy-7-[[(3R)-3-Hydroxybutanoyl]Amino]-2-Keto-Pelargonic Acid
• Molecular Formula: C₁₅H₂₆N₂O₉
• Molecular Weight: 378.38
• CAS Registry Number: 100343-04-2
• SMILES: [C@H](CC(C(O)=O)=O)([C@@H]([C@H]([C@H]([C@H](C)O)NC(=O)C[C@@H](C)O)O)NC(=O)C)O
• InChI: 1S/C15H26N2O9/c1-6(18)4-11(23)17-12(7(2)19)14(24)13(16-8(3)20)9(21)5-10(22)15(25)26/h6-7,9,12-14,18-19,21,24H,4-5H2,1-3H3,(H,16,20)(H,17,23)(H,25,26)/t6-,7+,9+,12+,13+,14+/m1/s1
• InChIKey: BTVNUGLCVUINJD-MQKLSUBOSA-N

Properties

• Density: 1.391g/cm³ (Cal.)
• Boiling point: 813.756°C at 760 mmHg (Cal.)
• Flash point: 445.944°C (Cal.)